@MOLECULE (1r,2r)-1-(3,4-dimethoxyphenyl)-2-(2-methoxyphenoxy)-1,3-propanediol 46 47 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.3730 0.4166 -0.3631 O.3 1 UNL1111111111 -0.2956 2 O -0.1128 2.6772 -1.3695 O.3 1 UNL1111111111 -0.5251 3 O -2.2763 3.5817 1.0221 O.3 1 UNL1111111111 -0.5632 4 O 3.1166 -0.8418 -2.0555 O.3 1 UNL1111111111 -0.3134 5 O 4.5794 -1.0152 0.1827 O.3 1 UNL1111111111 -0.2909 6 O -3.7032 -0.5346 -1.1389 O.3 1 UNL1111111111 -0.2815 7 C -1.2251 1.5552 0.4860 C.3 1 UNL1111111111 0.0200 8 C 0.0263 2.3193 -0.0087 C.3 1 UNL1111111111 0.1390 9 C 1.2546 1.4565 0.0705 C.ar 1 UNL1111111111 -0.0715 10 C -2.5157 2.3784 0.3123 C.3 1 UNL1111111111 -0.0423 11 C 1.6066 0.6512 -1.0167 C.ar 1 UNL1111111111 -0.1056 12 C 2.0421 1.4617 1.2197 C.ar 1 UNL1111111111 -0.1346 13 C 2.7408 -0.1435 -0.9367 C.ar 1 UNL1111111111 0.0941 14 C -1.8668 -0.6815 0.2931 C.ar 1 UNL1111111111 0.0992 15 C 3.1829 0.6599 1.3082 C.ar 1 UNL1111111111 -0.2775 16 C 3.5308 -0.1526 0.2331 C.ar 1 UNL1111111111 0.1696 17 C -3.0877 -1.2334 -0.1486 C.ar 1 UNL1111111111 0.1742 18 C -1.1421 -1.2986 1.3068 C.ar 1 UNL1111111111 -0.1706 19 C -3.5775 -2.3892 0.4539 C.ar 1 UNL1111111111 -0.2694 20 C -1.6441 -2.4512 1.9123 C.ar 1 UNL1111111111 -0.1814 21 C -2.8552 -2.9872 1.4884 C.ar 1 UNL1111111111 -0.1159 22 C 2.8838 -2.2426 -1.9200 C.3 1 UNL1111111111 -0.2035 23 C 5.4611 -1.0208 1.2965 C.3 1 UNL1111111111 -0.2130 24 C -4.8511 -1.1341 -1.7267 C.3 1 UNL1111111111 -0.2130 25 H -1.0885 1.2701 1.5510 H 1 UNL1111111111 0.1419 26 H 0.1357 3.2560 0.5943 H 1 UNL1111111111 0.1430 27 H -3.3880 1.8393 0.7157 H 1 UNL1111111111 0.1228 28 H -2.7072 2.6357 -0.7447 H 1 UNL1111111111 0.1388 29 H 0.9938 0.6457 -1.9241 H 1 UNL1111111111 0.1975 30 H 1.7746 2.0980 2.0621 H 1 UNL1111111111 0.1499 31 H -0.8190 3.3502 -1.4624 H 1 UNL1111111111 0.3134 32 H 3.7912 0.6858 2.2060 H 1 UNL1111111111 0.1577 33 H -0.1832 -0.8797 1.6088 H 1 UNL1111111111 0.1727 34 H -3.1042 3.9394 1.3887 H 1 UNL1111111111 0.3200 35 H -4.5198 -2.8251 0.1365 H 1 UNL1111111111 0.1599 36 H -1.0839 -2.9280 2.7132 H 1 UNL1111111111 0.1539 37 H -3.2488 -3.8847 1.9641 H 1 UNL1111111111 0.1478 38 H 3.2247 -2.6359 -2.8850 H 1 UNL1111111111 0.1456 39 H 3.4751 -2.6626 -1.1015 H 1 UNL1111111111 0.1329 40 H 1.8163 -2.4362 -1.7748 H 1 UNL1111111111 0.1315 41 H 5.9220 -0.0377 1.4352 H 1 UNL1111111111 0.1364 42 H 4.9474 -1.3565 2.2047 H 1 UNL1111111111 0.1305 43 H 6.2147 -1.7560 0.9893 H 1 UNL1111111111 0.1520 44 H -5.0568 -0.4475 -2.5608 H 1 UNL1111111111 0.1564 45 H -4.6382 -2.1377 -2.1068 H 1 UNL1111111111 0.1368 46 H -5.6864 -1.1422 -1.0211 H 1 UNL1111111111 0.1304 @BOND 1 1 7 1 2 1 14 1 3 2 8 1 4 2 31 1 5 3 10 1 6 3 34 1 7 4 13 1 8 4 22 1 9 5 16 1 10 5 23 1 11 6 17 1 12 6 24 1 13 7 8 1 14 7 10 1 15 7 25 1 16 8 9 1 17 8 26 1 18 9 11 ar 19 9 12 ar 20 10 27 1 21 10 28 1 22 11 13 ar 23 11 29 1 24 12 15 ar 25 12 30 1 26 13 16 ar 27 14 17 ar 28 14 18 ar 29 15 16 ar 30 15 32 1 31 17 19 ar 32 18 20 ar 33 18 33 1 34 19 21 ar 35 19 35 1 36 20 21 ar 37 20 36 1 38 21 37 1 39 22 38 1 40 22 39 1 41 22 40 1 42 23 41 1 43 23 42 1 44 23 43 1 45 24 44 1 46 24 45 1 47 24 46 1